[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C18H21N3O7S MolecularWeight: 423.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=NOC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=NOC=C3

InChI

InChI=1S/C18H21N3O7S/c22-17(19-16-7-10-28-20-16)13-27-18(23)6-3-14-1-4-15(5-2-14)29(24,25)21-8-11-26-12-9-21/h1-2,4-5,7,10H,3,6,8-9,11-13H2,(H,19,20,22)